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Research Article

How To Add Chemical Abstracts Service Registry Numbers and Structures to Databases via Chemical Names Comparison

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Heinz A. Krebs* and Ulrich Jordis

Institute of Organic Chemistry, Vienna University of Technology, Getreidemarkt 9/154, A-1060 Vienna, Austria

J. Chem. Inf. Comput. Sci., 2000, 40 (2), pp 293–294

DOI: 10.1021/ci9902649

Publication Date (Web): March 3, 2000

Section:

History, Education, and Documentation

Abstract

For the conversion of nonstructural chemical databases to structure databases, a series of algorithms to find the closest match between existing names to names in a reference database are described. On the basis of the best match, new fields such as the Chemical Abstracts Service Registry Number (CASRN) or structures were added to the database.

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